SCHEMBL11116979

SCHEMBL11116979

O=C(Oc1cn(-c2ccccc2)c2ccccc12)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.55
KMT2A Q03164 6/20 0.48
PKM P14618 1/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ESR1 P03372 2/20 0.48
ESR2 Q92731 2/20 0.48
HSD17B10 Q99714 2/20 0.48
MEN1 O00255 1/20 0.48
JAK2 O60674 1/20 0.48
USP2 O75604 1/20 0.48
GAA P10253 1/20 0.48
ALOX15 P16050 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RORC P51449 4/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
TNF P01375 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30234406 0.90 ALDH1A1 (0.50) NR4A2KMT2APKMMAPTSMN1; SMN2
SCHEMBL11114973 0.88 KMT2A (0.55) NR4A2KMT2APKMMAPTUSP2
SCHEMBL7431522 0.83 NR4A2 (0.56) NR4A2SMN1; SMN2ESR1HSD17B10CA12
SCHEMBL28389039 0.83 LMNA (0.50) NR4A2KMT2APKMMAPTSMN1; SMN2
SCHEMBL4664127 0.79 NR4A2 (0.49) NR4A2RORCCA12CA1CA2
SCHEMBL12641988 0.78 HCRTR1 (0.49) KMT2APKMMAPTSMN1; SMN2ESR1
SCHEMBL13335079 0.77 NR4A2 (0.50) NR4A2RORCKDM4EPOLBCTDSP1
SCHEMBL27840811 0.75 KMT2A (0.43) KMT2APKMMAPTSMN1; SMN2ESR1
SCHEMBL28878338 0.74 NR4A2 (0.55) NR4A2KMT2AMAPTHSD17B10MEN1
SCHEMBL9796603 0.74 POLB (0.52) NR4A2KMT2APKMMAPTSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0116360-A1 1-Phenyl-2-aminocarbonyl indoles, their preparation and medicines containing them Kali-Chemie Pharma GmbH (DE) 1984-08-22 EP disclosed